1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

C17H20N6 — CID 95867116

IUPAC1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12
InChIInChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyHFLOZLJBECKNCU-LLVKDONJSA-N
MW308.39 g/mol
LogP2.72
Rot. Bonds2

About 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 95867116) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID95867116
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12
InChIInChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyHFLOZLJBECKNCU-LLVKDONJSA-N
XLogP2.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 95869064
(3S,4S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 70736952
4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
CID 70752651
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
1,3-dimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861426
(2R)-1-(1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,4-diazepan-5-one
CID 95866502
1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
CID 95867860
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
3-bromo-2-(2-methylpyrrolidin-1-yl)pyridine
CID 61373542
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891564
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207
4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
CID 131872360

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (CID 95867116) is 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12.
What is the InChIKey of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HFLOZLJBECKNCU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 308.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95867116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).